Acetic Acid → HCID 135508885, compound

HRID 137800Notes

Reaction equation

HRID 137800 reaction equation
[CH3:50][C:51](=[O:52])[OH:53].[Cl:45][C:46](=[O:47])[O:48][CH3:49].[Na+:44].[OH-:43].[OH2:54].[c:1]1(-[n:7]2[n:8][cH:9][c:10]3[cH:11][c:12]4[c:13]([c:14]([OH:18])[c:15]3[c:16]2=[O:17])-[c:19]2[c:20]([OH:42])[c:21]3[c:30]([c:31]([O:35][CH3:36])[c:32]2[CH2:33][CH2:34]4)[C:29](=[O:37])[c:28]2[c:23]([cH:24][c:25]([OH:40])[c:26]([CH3:39])[c:27]2[OH:38])[C:22]3=[O:41])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[n:7]2[n:8][cH:9][c:10]3[cH:11][c:12]4[c:13]([c:14]([OH:18])[c:15]3[c:16]2=[O:17])-[c:19]2[c:20]([OH:42])[c:21]3[c:30]([c:31]([O:35][CH3:36])[c:32]2[CH2:33][CH2:34]4)[C:29](=[O:37])[c:28]2[c:23]([cH:24][c:25]([O:40][C:46](=[O:47])[O:48][CH3:49])[c:26]([CH3:39])[c:27]2[OH:38])[C:22]3=[O:41])[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 6586Methyl chloroformateHCID 135487800HCID 135487800, compound

Product 1

HCID 135508885HCID 135508885, compound

Sources & evidence

ORD record
ord-a20e58fcd0c74d68a1327f4a099ed31a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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